4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine

C11H18N2OS — CID 65168555

IUPAC4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CCOCC2)sc1C
InChIInChI=1S/C11H18N2OS/c1-8-9(2)15-11(13-8)12-7-10-3-5-14-6-4-10/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyKYXUUEXXEVZNBR-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.60
Rot. Bonds3

About 4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine

4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 65168555) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID65168555
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CCOCC2)sc1C
InChIInChI=1S/C11H18N2OS/c1-8-9(2)15-11(13-8)12-7-10-3-5-14-6-4-10/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyKYXUUEXXEVZNBR-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine (CID 65168555) is 4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine is Cc1nc(NCC2CCOCC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is KYXUUEXXEVZNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-9(2)15-11(13-8)12-7-10-3-5-14-6-4-10/h10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 65168555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).